N-[(2R)-2-(2-chlorophenyl)-2-piperidin-1-ium-1-yl-ethyl]-6,7-dimethyl-4-oxidanylidene-chromene-2-carboxamide

Systemtic Name: N-[(2R)-2-(2-chlorophenyl)-2-piperidin-1-ium-1-yl-ethyl]-6,7-dimethyl-4-oxidanylidene-chromene-2-carboxamide Openeye Name: N-[(2R)-2-(2-chlorophenyl)-2-piperidin-1-ium-1-yl-ethyl]-6,7-dimethyl-4-oxo-chromene-2-carboxamide CAS Name: N-[(2R)-2-(2-chlorophenyl)-2-(1-piperidin-1-iumyl)ethyl]-6,7-dimethyl-4-oxo-1-benzopyran-2-carboxamide IUPAC Name: N-[(2R)-2-(2-chlorophenyl)-2-piperidin-1-ium-1-ylethyl]-6,7-dimethyl-4-oxochromene-2-carboxamide Traditional Name: N-[(2R)-2-(2-chlorophenyl)-2-piperidin-1-ium-1-yl-ethyl]-4-keto-6,7-dimethyl-chromene-2-carboxamide Formula: C25H28ClN2O3+ MolecularWeight: 439.95442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=O)C=C(O2)C(=O)NCC(C3=CC=CC=C3Cl)[NH+]4CCCCC4)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=O)C=C(O2)C(=O)NC[C@@H](C3=CC=CC=C3Cl)[NH+]4CCCCC4)C

InChI

InChI=1S/C25H27ClN2O3/c1-16-12-19-22(29)14-24(31-23(19)13-17(16)2)25(30)27-15-21(28-10-6-3-7-11-28)18-8-4-5-9-20(18)26/h4-5,8-9,12-14,21H,3,6-7,10-11,15H2,1-2H3,(H,27,30)/p+1/t21-/m0/s1